Millar D.I.A. Energetic materials at extreme conditions (Heidelberg; New York, 2012). - ОГЛАВЛЕНИЕ / CONTENTS
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ОбложкаMillar D.I.A. Energetic materials at extreme conditions. - Heidelberg; New York: Springer, 2012. - xiv, 222 p.: ill. - (Springer theses). - ISBN 978-3-642-23131-5; ISSN 2190-5053
 

Оглавление / Contents
 
1  Introduction .............................................. 1
   1.1  Energetic Materials .................................. 1
        1.1.1  Definition .................................... 1
        1.1.2  Classification ................................ 2
        1.1.3  Energetic Performance ......................... 5
   1.2  Polymorphism ......................................... 6
        1.2.1  Definition .................................... 6
        1.2.2  Implications of Polymorphism .................. 8
   1.3  High Pressure ....................................... 12
        1.3.1  General Concept .............................. 12
        1.3.2  Previous High-Pressure Research .............. 14
   1.4  General Aims and Outline of Research ................ 23
   References ............................................... 24
2  Experimental Techniques .................................. 29
   2.1  Complementarity of High-Pressure Techniques ......... 29
   2.2  The Merrill-Bassett Diamond-Anvil Cell .............. 29
        2.2.1  DAC Components ............................... 29
        2.2.2  Pressure Measurement ......................... 33
        2.2.3  Sample Loading ............................... 34
   2.3  Experimental Techniques Using the Diamond-Anvil
        Cell ................................................ 35
        2.3.1  X-Ray Single-Crystal Diffraction ............. 35
        2.3.2  High-Pressure Single-Crystal X-Ray
               Diffraction .................................. 38
        2.3.3  X-Ray Powder Diffraction ..................... 40
        2.3.4  High-Pressure X-Ray Powder Diffraction ....... 42
        2.3.5  X-Ray Sources: Laboratory Versus
               Synchrotron .................................. 43
        2.3.6  Raman Spectroscopy ........................... 44
   2.4  The Paris-Edinburgh Cell ............................ 46
        2.4.1  Construction of the Paris-Edinburgh Cell ..... 46
        2.4.2  Variable-Temperature Insert for the
               Paris-Edinburgh Cell ......................... 46
        2.4.3  Pressure Measurement ......................... 48
   2.5  Experimental Techniques Using the Paris-Edinburgh
        Cell ................................................ 48
        2.5.1  Neutron Powder Diffraction ................... 48
        2.5.2  Neutron Sources .............................. 49
   2.6  Equations of State .................................. 51
   References ............................................... 53
3  Structural Studies of RDX ................................ 55
   3.1  Introduction ........................................ 55
   3.2  Polymorphism of RDX ................................. 56
   3.3  Aims ................................................ 61
   3.4  Experimental ........................................ 62
        3.4.1  Materials .................................... 62
        3.4.2  High-Pressure Neutron Powder Diffraction ..... 64
        3.4.3  Ambient-Pressure Single-Crystal X-Ray
               Diffraction .................................. 64
        3.4.4  High-Pressure Single-Crystal X-Ray
               Diffraction .................................. 64
        3.4.5  High-Pressure X-Ray Powder Diffraction ....... 65
        3.4.6  DFT-MD Calculations .......................... 66
   3.5  Results and Discussion .............................. 66
        3.5.1  β-RDX: A Highly Metastable Polymorph at
               Ambient Conditions ........................... 66
        3.5.2  Investigation of the High-Pressure/High-
               Temperature Form of RDX ...................... 72
        3.5.3  δ-RDX: The Very-High-Pressure Form of RDX .... 82
   3.6  Conclusions ......................................... 88
   3.7  Suggestions for Further Work ........................ 89
   References ............................................... 91
4  High-Pressure Structural Studies of CL-20 ................ 95
   4.1  Introduction ........................................ 95
   4.2  Polymorphism of CL-20 ............................... 95
        4.2.1  Ambient-Pressure Studies ..................... 95
        4.2.2  High-Pressure Studies ........................ 98
   4.3  Aims ............................................... 100
   4.4  Experimental ....................................... 100
        4.4.1  Materials ................................... 100
        4.4.2  High-Pressure X-Ray Powder Diffraction ...... 100
        4.4.3  High-Pressure Neutron Powder Diffraction .... 101
        4.4.4  High-Pressure Single-Crystal X-Ray
               Diffraction ................................. 101
        4.4.5  Ambient-Pressure Single-Crystal X-Ray
               Diffraction ................................. 102
   4.5  Results and Discussion ............................. 102
        4.5.1  Compression of ε-CL-20 ...................... 102
        4.5.2  Compression of γ-CL-20 ...................... 106
   4.6  Conclusions ........................................ 121
   4.7  Suggestions for Further Work ....................... 122
   References .............................................. 123
5  Structural Investigation of a Series of Inorganic
   Azides .................................................. 125
   5.1  General Introduction to Inorganic Azides ........... 125
        5.1.1  Azides as Energetic Materials ............... 125
        5.1.2  Structural Considerations ................... 126
        5.1.3  Structure and Sensitivity ................... 127
   5.2  Polymorphism of the 'Simple' Inorganic Azides ...... 128
        5.2.1  NaN3 ........................................ 128
        5.2.2  CsN3 ........................................ 131
        5.2.3  TlN3 ........................................ 133
        5.2.4  A Note on Nomenclature ...................... 135
   5.3  Aims ............................................... 135
   5.4  Experimental ....................................... 135
        5.4.1  Materials ................................... 135
        5.4.2  High-Pressure Neutron Powder Diffraction .... 137
        5.4.3  High-Pressure/High-Temperature Neutron
               Powder Diffraction .......................... 137
        5.4.4  High-Pressure X-Ray Powder Diffraction ...... 137
        5.4.5  Ambient Pressure X-Ray Powder Diffraction ... 138
   5.5  Results and Discussion ............................. 139
        5.5.1  NaN3 ........................................ 139
        5.5.2  CsN3 ........................................ 150
        5.5.3  TlN3 ........................................ 158
   5.6  Summary and Conclusions ............................ 176
   5.7  Suggestions for Further Work ....................... 179
   References .............................................. 180
6  Structural Investigation of a Series of Inorganic
   Azides .................................................. 183
   6.1  Polymorphism of the 'More Complex' Inorganic
        Azides ............................................. 183
        6.1.1  NH4N3 ....................................... 183
        6.1.2  AgN3 ........................................ 184
        6.1.3  Pb(N3)2 ..................................... 188
        6.3.2  High-Pressure Neutron Powder Diffraction .... 190
   6.4  Results and Discussion ............................. 191
        6.4.1  NH4N3 ....................................... 191
        6.4.2  AgN3 ........................................ 195
        6.4.3  Pb(N3)2 ..................................... 203
   6.5  Summary and Conclusions ............................ 208
   6.6  Suggestions for Further Work ....................... 210
   References .............................................. 211
7  General Remarks ......................................... 213

Appendix ................................................... 215


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